DockMetrics
MOLECULAR DOCKING Inhibition Efficiency Index (IEI) and Selectivity Entropy Index (SEI)

Docking Result

CHEMBL3806021_dpp4

Atoms: 279
Models: 9
Best Energy: -8.263 kcal/mol

Binding Energies:
  • Pose 1: -8.263 kcal/mol
  • Pose 2: -8.169 kcal/mol
  • Pose 3: -8.166 kcal/mol
  • Pose 4: -8.113 kcal/mol
  • Pose 5: -7.974 kcal/mol
  • Pose 6: -7.812 kcal/mol
  • Pose 7: -7.718 kcal/mol
  • Pose 8: -7.701 kcal/mol
  • Pose 9: -7.581 kcal/mol
CHEMBL3806021_dpp4
Energy Plot
RMSD Scatter Plot